General Information of the Compound
| Compound ID |
CP0459511
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| Compound Name |
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylpyrazin-2-yl)-methanone
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| Structure |
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| Formula |
C18H29N5O
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| Molecular Weight |
331.464
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1cnc(CN2CCCCC2)cn1
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| InChI |
InChI=1S/C18H29N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h12-13,15H,3-11,14H2,1-2H3
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| InChIKey |
USOUXPUSQBUUOL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound